HRID175861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID4622928

Cyanomethylenetributylphosphorane

C14H28NP

HCID15334537

未命名化合物

结构：C=CCC1(CC)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CO)C1=O

HCID76834581

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(CC)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CN(C)S(=O)(=O)C2CC2)C1=O

HCID76834566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bc700dea1494c7cb04f180d687cf86e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:40]([CH:41]=[P:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])#[N:55].[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH2:30][CH3:31])[C:5](=[O:29])[N:6]([CH:24]([CH2:25][OH:26])[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[CH3:32][NH:33][S:34](=[O:35])(=[O:36])[CH:37]1[CH2:38][CH2:39]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH2:30][CH3:31])[C:5](=[O:29])[N:6]([CH:24]([CH2:25][N:33]([CH3:32])[S:34](=[O:35])(=[O:36])[CH:37]2[CH2:38][CH2:39]2)[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1